ethyl 2-[4-(dimethylsulfamoyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-[4-(dimethylsulfamoyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
ethyl 2-[4-(dimethylsulfamoyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K408-0501 |
| Compound Name: | ethyl 2-[4-(dimethylsulfamoyl)benzamido]-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 516.08 |
| Molecular Formula: | C22 H29 N3 O5 S2 |
| Salt: | HCl |
| Smiles: | [H]N(C(c1ccc(cc1)S(N(C)C)(=O)=O)=O)c1c(C(=O)OCC)c2CCN(Cc2s1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.1582 |
| logD: | -1.5074 |
| logSw: | -3.5496 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.259 |
| InChI Key: | VDONXQMUKJBRST-UHFFFAOYSA-N |